Benzenemethanol, 4-(1-methylethyl)-, 1-formate

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  • Identifiers

    CAS number
    67634-21-3

    Molecular formula
    C11H14O2

    SMILES
    CC(C)C1=CC=C(C=C1)COC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 83.25%
    Herbal 66.99%
    Floral 58.62%
    Fruity 57.22%
    Fresh 53.93%
    Woody 52.12%
    Spicy 50.54%
    Sweet 42.88%
    Leafy 37.22%
    Cortex 33.65%

     

    Flavor
    Green 72.21%
    Herbal 57.78%
    Floral 50.31%
    Spicy 48.82%
    Fresh 44.55%
    Fruity 41.59%
    Balsam 32.42%
    Jasmin 32.39%
    Bitter 31.96%
    Oily 31.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.19 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 106.2 ˚C est.

  • Synonyms

    • 67634-21-3
    • Benzenemethanol, 4-(1-methylethyl)-, formate
    • EINECS 266-826-0
    • Benzenemethanol, 4-(1-methylethyl)-, 1-formate
    • DTXSID20867298
    • RefChem:117673
    • DTXCID20815491
    • p-Isopropylbenzyl formate
    • [4-(propan-2-yl)phenyl]methyl formate
    • 4-Isopropylbenzyl formate
    • SCHEMBL146505
    • SCHEMBL2089810
    • UZFIDCCOGFHAHO-UHFFFAOYSA-N
    • NS00055831
    • 67634-21-3

  • Applications

    Benzenemethanol, 4-(1-methylethyl)-, 1-formate (CAS 67634-21-3) is an isopropyl-substituted benzyl formate. In the fragrance industry, it is used as a fragrance ingredient and fixative to extend aroma in perfumes and scented products. In cosmetics and personal care, it is employed to contribute to the scent in creams, lotions, and cleansers. In household products and cleaners, it serves as a scent component to improve odor quality. In industrial manufacturing, it can function as a light solvent and as a synthetic intermediate for aroma-related compounds. In coatings, inks, and adhesives, it may be used as a solvent or processing aid in formulation of coatings, inks, and adhesive products. It may also be evaluated as a broader aroma-chemical intermediate in synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 804.54
    methanol 692.96
    isopropanol 380.82
    water 0.14
    ethyl acetate 1688.7
    n-propanol 567.35
    acetone 1227.85
    n-butanol 401.02
    acetonitrile 1154.82
    DMF 1344.35
    toluene 327.74
    isobutanol 280.11
    1,4-dioxane 1057.63
    methyl acetate 1213.05
    THF 1185.41
    2-butanone 1255.54
    n-pentanol 289.99
    sec-butanol 307.01
    n-hexane 14.02
    ethylene glycol 93.02
    NMP 802.53
    cyclohexane 18.09
    DMSO 1450.11
    n-butyl acetate 612.63
    n-octanol 55.2
    chloroform 1844.23
    n-propyl acetate 629.78
    acetic acid 465.05
    dichloromethane 2472.83
    cyclohexanone 977.53
    propylene glycol 164.78
    isopropyl acetate 555.41
    DMAc 797.11
    2-ethoxyethanol 629.07
    isopentanol 293.93
    n-heptane 7.34
    ethyl formate 555.27
    1,2-dichloroethane 1943.37
    n-hexanol 266.07
    2-methoxyethanol 1089.11
    isobutyl acetate 270.27
    tetrachloromethane 130.79
    n-pentyl acetate 173.05
    transcutol 2021.59
    n-heptanol 71.85
    ethylbenzene 148.91
    MIBK 378.32
    2-propoxyethanol 604.45
    tert-butanol 455.71
    MTBE 527.86
    2-butoxyethanol 220.39
    propionic acid 490.56
    o-xylene 161.98
    formic acid 178.65
    diethyl ether 839.55
    m-xylene 184.49
    p-xylene 165.83
    chlorobenzene 520.94
    dimethyl carbonate 310.19
    n-octane 3.07
    formamide 612.71
    cyclopentanone 1365.12
    2-pentanone 972.29
    anisole 460.23
    cyclopentyl methyl ether 626.46
    gamma-butyrolactone 1500.77
    1-methoxy-2-propanol 700.03
    pyridine 1039.51
    3-pentanone 720.82
    furfural 1032.79
    n-dodecane 2.52
    diethylene glycol 369.96
    diisopropyl ether 127.83
    tert-amyl alcohol 347.42
    acetylacetone 852.46
    n-hexadecane 3.09
    acetophenone 377.92
    methyl propionate 1164.02
    isopentyl acetate 432.35
    trichloroethylene 3080.36
    n-nonanol 53.66
    cyclohexanol 248.38
    benzyl alcohol 315.83
    2-ethylhexanol 135.74
    isooctanol 61.17
    dipropyl ether 207.61
    1,2-dichlorobenzene 426.76
    ethyl lactate 195.13
    propylene carbonate 624.51
    n-methylformamide 1060.02
    2-pentanol 240.46
    n-pentane 9.82
    1-propoxy-2-propanol 390.61
    1-methoxy-2-propyl acetate 603.17
    2-(2-methoxypropoxy) propanol 248.96
    mesitylene 92.36
    ε-caprolactone 845.92
    p-cymene 70.16
    epichlorohydrin 2400.75
    1,1,1-trichloroethane 984.3
    2-aminoethanol 311.98
    morpholine-4-carbaldehyde 964.66
    sulfolane 1391.19
    2,2,4-trimethylpentane 9.78
    2-methyltetrahydrofuran 1016.13
    n-hexyl acetate 226.63
    isooctane 8.84
    2-(2-butoxyethoxy)ethanol 367.28
    sec-butyl acetate 352.99
    tert-butyl acetate 514.76
    decalin 16.51
    glycerin 186.95
    diglyme 797.61
    acrylic acid 379.98
    isopropyl myristate 73.73
    n-butyric acid 667.93
    acetyl acetate 466.83
    di(2-ethylhexyl) phthalate 77.34
    ethyl propionate 595.83
    nitromethane 1575.33
    1,2-diethoxyethane 573.03
    benzonitrile 414.55
    trioctyl phosphate 48.88
    1-bromopropane 652.24
    gamma-valerolactone 1437.81
    n-decanol 39.11
    triethyl phosphate 122.12
    4-methyl-2-pentanol 120.29
    propionitrile 719.1
    vinylene carbonate 545.43
    1,1,2-trichlorotrifluoroethane 926.28
    DMS 293.14
    cumene 86.54
    2-octanol 41.79
    2-hexanone 526.41
    octyl acetate 92.76
    limonene 99.87
    1,2-dimethoxyethane 877.6
    ethyl orthosilicate 116.58
    tributyl phosphate 76.7
    diacetone alcohol 536.59
    N,N-dimethylaniline 217.99
    acrylonitrile 990.98
    aniline 484.95
    1,3-propanediol 390.41
    bromobenzene 527.26
    dibromomethane 1358.88
    1,1,2,2-tetrachloroethane 1919.35
    2-methyl-cyclohexyl acetate 208.68
    tetrabutyl urea 93.92
    diisobutyl methanol 76.58
    2-phenylethanol 266.24
    styrene 213.44
    dioctyl adipate 135.22
    dimethyl sulfate 432.36
    ethyl butyrate 375.89
    methyl lactate 268.16
    butyl lactate 142.64
    diethyl carbonate 236.41
    propanediol butyl ether 174.91
    triethyl orthoformate 197.71
    p-tert-butyltoluene 66.4
    methyl 4-tert-butylbenzoate 195.83
    morpholine 1553.19
    tert-butylamine 230.3
    n-dodecanol 28.25
    dimethoxymethane 916.39
    ethylene carbonate 429.76
    cyrene 247.95
    2-ethoxyethyl acetate 382.63
    2-ethylhexyl acetate 315.96
    1,2,4-trichlorobenzene 496.99
    4-methylpyridine 995.59
    dibutyl ether 119.73
    2,6-dimethyl-4-heptanol 76.58
    DEF 1009.86
    dimethyl isosorbide 473.15
    tetrachloroethylene 987.86
    eugenol 201.35
    triacetin 246.42
    span 80 162.75
    1,4-butanediol 129.46
    1,1-dichloroethane 1437.52
    2-methyl-1-pentanol 233.83
    methyl formate 600.13
    2-methyl-1-butanol 271.42
    n-decane 4.45
    butyronitrile 605.8
    3,7-dimethyl-1-octanol 84.53
    1-chlorooctane 45.13
    1-chlorotetradecane 14.96
    n-nonane 3.97
    undecane 3.25
    tert-butylcyclohexane 17.06
    cyclooctane 6.0
    cyclopentanol 272.46
    tetrahydropyran 927.25
    tert-amyl methyl ether 320.37
    2,5,8-trioxanonane 462.04
    1-hexene 128.23
    2-isopropoxyethanol 383.42
    2,2,2-trifluoroethanol 158.34
    methyl butyrate 715.5

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction